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4-[4-(diethylamino)butyl-methyl-amino]benzenesulfonic acid

4-[4-(diethylamino)butyl-methyl-amino]benzenesulfonic acid

Systemtic Name:4-[4-(diethylamino)butyl-methyl-amino]benzenesulfonic acid
Openeye Name:4-[4-(diethylamino)butyl-methyl-amino]benzenesulfonic acid
CAS Name:4-[4-(diethylamino)butyl-methylamino]benzenesulfonic acid
IUPAC Name:4-[4-(diethylamino)butyl-methylamino]benzenesulfonic acid
Traditional Name:4-[4-(diethylamino)butyl-methyl-amino]besylic acid
Formula: C15H26N2O3S
MolecularWeight: 314.44354
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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCCN(C)C1=CC=C(C=C1)S(=O)(=O)O


Isomeric SMILES

CCN(CC)CCCCN(C)C1=CC=C(C=C1)S(=O)(=O)O


InChI

InChI=1S/C15H26N2O3S/c1-4-17(5-2)13-7-6-12-16(3)14-8-10-15(11-9-14)21(18,19)20/h8-11H,4-7,12-13H2,1-3H3,(H,18,19,20)


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